N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide

C21H25ClN2O2 — CID 72850024

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-24(14-18-12-19(22)9-10-20(18)26-2)21(25)16-7-5-15(6-8-16)17-4-3-11-23-13-17/h5-10,12,17,23H,3-4,11,13-14H2,1-2H3
InChIKeyCDVKEHRUSCOTAA-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.09
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide (PubChem CID 72850024) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide
PubChem CID72850024
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-24(14-18-12-19(22)9-10-20(18)26-2)21(25)16-7-5-15(6-8-16)17-4-3-11-23-13-17/h5-10,12,17,23H,3-4,11,13-14H2,1-2H3
InChIKeyCDVKEHRUSCOTAA-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide (CID 72850024) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide is COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide?
The InChIKey is CDVKEHRUSCOTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-24(14-18-12-19(22)9-10-20(18)26-2)21(25)16-7-5-15(6-8-16)17-4-3-11-23-13-17/h5-10,12,17,23H,3-4,11,13-14H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide has a molecular weight of 372.90 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 72850024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).